1-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione

C16H24N4O2S — CID 71978470

IUPAC1-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCc1nc(C)c(CN2CCN(CCN3C(=O)CCC3=O)CC2)s1
InChIInChI=1S/C16H24N4O2S/c1-12-14(23-13(2)17-12)11-19-7-5-18(6-8-19)9-10-20-15(21)3-4-16(20)22/h3-11H2,1-2H3
InChIKeyXNACPGGYNFFIPK-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.03
Rot. Bonds5

About 1-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione

1-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 71978470) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 1-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID71978470
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name1-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCc1nc(C)c(CN2CCN(CCN3C(=O)CCC3=O)CC2)s1
InChIInChI=1S/C16H24N4O2S/c1-12-14(23-13(2)17-12)11-19-7-5-18(6-8-19)9-10-20-15(21)3-4-16(20)22/h3-11H2,1-2H3
InChIKeyXNACPGGYNFFIPK-UHFFFAOYSA-N
XLogP1.03
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione (CID 71978470) is 1-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione is Cc1nc(C)c(CN2CCN(CCN3C(=O)CCC3=O)CC2)s1.
What is the InChIKey of 1-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is XNACPGGYNFFIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-12-14(23-13(2)17-12)11-19-7-5-18(6-8-19)9-10-20-15(21)3-4-16(20)22/h3-11H2,1-2H3.
What are the key properties of 1-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
1-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 336.46 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 71978470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).